(2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide

C24H32N6O3 — CID 40632048

IUPAC(2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
SMILESCC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cc(C)ccc1C
InChIInChI=1S/C24H32N6O3/c1-8-18(23(32)25-24(5,6)7)30(19-13-15(2)9-10-16(19)3)21(31)14-29-27-22(26-28-29)20-12-11-17(4)33-20/h9-13,18H,8,14H2,1-7H3,(H,25,32)/t18-/m1/s1
InChIKeyYJNIMHJHWABWFG-GOSISDBHSA-N
MW452.56 g/mol
LogP3.58
Rot. Bonds7

About (2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide

(2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (PubChem CID 40632048) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
PubChem CID40632048
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name(2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
SMILESCC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cc(C)ccc1C
InChIInChI=1S/C24H32N6O3/c1-8-18(23(32)25-24(5,6)7)30(19-13-15(2)9-10-16(19)3)21(31)14-29-27-22(26-28-29)20-12-11-17(4)33-20/h9-13,18H,8,14H2,1-7H3,(H,25,32)/t18-/m1/s1
InChIKeyYJNIMHJHWABWFG-GOSISDBHSA-N
XLogP3.58
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
CID 25310646
(2S)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
CID 25310649
(2R)-N-tert-butyl-2-(4-methoxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide
CID 40632060
N-tert-butyl-4-methyl-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)pentanamide
CID 3178809
N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 3179091
(2S)-N-tert-butyl-2-(furan-2-yl)-2-(3-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 25310940
N-tert-butyl-2-(4-hydroxyphenyl)-2-(4-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 3178977
N-tert-butyl-2-(4-chlorophenyl)-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 3178895
N-tert-butyl-2-(2-methyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-thiophen-2-ylacetamide
CID 3179196
N-tert-butyl-2-(3-hydroxy-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-(4-hydroxyphenyl)acetamide
CID 3178995
(2S)-N-tert-butyl-2-(5-methylfuran-2-yl)-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-(5,6,7,8-tetrahydronaphthalen-1-yl)amino]acetamide
CID 25306381
N-tert-butyl-2-(2,3-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-2-pyridin-4-ylacetamide
CID 3179273

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The IUPAC name of (2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide (CID 40632048) is (2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is CC[C@H](C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1cc(C)ccc1C.
What is the InChIKey of (2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
The InChIKey is YJNIMHJHWABWFG-GOSISDBHSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-8-18(23(32)25-24(5,6)7)30(19-13-15(2)9-10-16(19)3)21(31)14-29-27-22(26-28-29)20-12-11-17(4)33-20/h9-13,18H,8,14H2,1-7H3,(H,25,32)/t18-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide?
(2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide has a molecular weight of 452.56 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-(2,5-dimethyl-N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)butanamide is sourced from PubChem (CID 40632048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).