N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide

C21H29N3O3 — CID 8995988

IUPACN'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide
SMILESCC(C)Cc1ccc([C@@H](NCC(=O)NNC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C21H29N3O3/c1-14(2)12-16-7-9-17(10-8-16)20(15(3)4)22-13-19(25)23-24-21(26)18-6-5-11-27-18/h5-11,14-15,20,22H,12-13H2,1-4H3,(H,23,25)(H,24,26)/t20-/m0/s1
InChIKeyYFRXTGYEMKQJDB-FQEVSTJZSA-N
MW371.48 g/mol
LogP3.23
Rot. Bonds8

About N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide

N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide (PubChem CID 8995988) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide
PubChem CID8995988
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide
SMILESCC(C)Cc1ccc([C@@H](NCC(=O)NNC(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C21H29N3O3/c1-14(2)12-16-7-9-17(10-8-16)20(15(3)4)22-13-19(25)23-24-21(26)18-6-5-11-27-18/h5-11,14-15,20,22H,12-13H2,1-4H3,(H,23,25)(H,24,26)/t20-/m0/s1
InChIKeyYFRXTGYEMKQJDB-FQEVSTJZSA-N
XLogP3.23
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9162418
2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide
CID 8996189
N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 8995951
N,N-dimethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 78817279
2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[1-(furan-2-yl)ethyl]acetamide
CID 86911674
N'-[2-[[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetyl]furan-2-carbohydrazide
CID 8829914
N'-[2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]acetyl]furan-2-carbohydrazide
CID 8996622
N-[1-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 78810785
N'-acetyl-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetohydrazide
CID 9132759
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium
CID 8970450
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132070

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide (CID 8995988) is N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide is CC(C)Cc1ccc([C@@H](NCC(=O)NNC(=O)c2ccco2)C(C)C)cc1.
What is the InChIKey of N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide?
The InChIKey is YFRXTGYEMKQJDB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-14(2)12-16-7-9-17(10-8-16)20(15(3)4)22-13-19(25)23-24-21(26)18-6-5-11-27-18/h5-11,14-15,20,22H,12-13H2,1-4H3,(H,23,25)(H,24,26)/t20-/m0/s1.
What are the key properties of N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide?
N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide has a molecular weight of 371.48 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide is sourced from PubChem (CID 8995988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).