N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide

C16H26N2O4 — CID 109389252

IUPACN-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C16H26N2O4/c1-10(2)14(20)16(4,5)9-18-13(19)8-17-15(21)12-6-7-22-11(12)3/h6-7,10,14,20H,8-9H2,1-5H3,(H,17,21)(H,18,19)
InChIKeyROPRKHGXACWILD-UHFFFAOYSA-N
MW310.39 g/mol
LogP1.48
Rot. Bonds7

About N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide

N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide (PubChem CID 109389252) has the molecular formula C16H26N2O4 and a molecular weight of 310.39 g/mol. Its IUPAC name is N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
PubChem CID109389252
Molecular FormulaC16H26N2O4
Molecular Weight310.39 g/mol
Exact Mass310.19
IUPAC NameN-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCC(=O)NCC(C)(C)C(O)C(C)C
InChIInChI=1S/C16H26N2O4/c1-10(2)14(20)16(4,5)9-18-13(19)8-17-15(21)12-6-7-22-11(12)3/h6-7,10,14,20H,8-9H2,1-5H3,(H,17,21)(H,18,19)
InChIKeyROPRKHGXACWILD-UHFFFAOYSA-N
XLogP1.48
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 109389253
2-methyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 35352937
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
2-methyl-N-[2-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 95631821
N-(3,3-dimethylbutan-2-yl)-2-methylfuran-3-carboxamide
CID 2970515
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide
CID 109380934
2-methyl-N-[2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 55837756
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 47935324
2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methylsulfanylbenzamide
CID 109380612
2-methyl-N-[2-oxo-2-[[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]amino]ethyl]furan-3-carboxamide
CID 94488168
N-(2-amino-2-ethylbutyl)-2-methylfuran-3-carboxamide;hydrochloride
CID 119640929
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 27859031

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide (CID 109389252) is N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCC(=O)NCC(C)(C)C(O)C(C)C.
What is the InChIKey of N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
The InChIKey is ROPRKHGXACWILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O4/c1-10(2)14(20)16(4,5)9-18-13(19)8-17-15(21)12-6-7-22-11(12)3/h6-7,10,14,20H,8-9H2,1-5H3,(H,17,21)(H,18,19).
What are the key properties of N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide?
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide has a molecular weight of 310.39 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 109389252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).