4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide

C19H27N3O2 — CID 119739183

IUPAC4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C19H27N3O2/c1-6-12-22(13-7-2)18(24)14-8-10-15(11-9-14)21-17(23)16(20)19(3,4)5/h6-11,16H,1-2,12-13,20H2,3-5H3,(H,21,23)/t16-/m1/s1
InChIKeyLNDOYGXABGPQKR-MRXNPFEDSA-N
MW329.44 g/mol
LogP2.81
Rot. Bonds7

About 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide

4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide (PubChem CID 119739183) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide
PubChem CID119739183
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1
InChIInChI=1S/C19H27N3O2/c1-6-12-22(13-7-2)18(24)14-8-10-15(11-9-14)21-17(23)16(20)19(3,4)5/h6-11,16H,1-2,12-13,20H2,3-5H3,(H,21,23)/t16-/m1/s1
InChIKeyLNDOYGXABGPQKR-MRXNPFEDSA-N
XLogP2.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119684182
(2S)-2-amino-3,3-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]butanamide;hydrochloride
CID 119702311
2-amino-N-[4-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76887492
2-amino-3,3-dimethyl-N-[4-(propanoylamino)phenyl]butanamide
CID 76887665
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-propan-2-ylbenzamide
CID 61179042
(2S)-2-amino-N-(4-bromophenyl)-3,3-dimethylbutanamide
CID 61149215
4-(carbamoylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115776053
3-[[4-[bis(prop-2-enyl)carbamoyl]phenyl]carbamoyl-methylamino]propanoic acid
CID 122077697
4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
CID 119298023
4-acetyl-N,N-bis(prop-2-enyl)benzamide
CID 67089080
3-[[4-[bis(prop-2-enyl)carbamoyl]phenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122077702
methyl N-[4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]carbamate
CID 61179916

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide (CID 119739183) is 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H](N)C(C)(C)C)cc1.
What is the InChIKey of 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is LNDOYGXABGPQKR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-6-12-22(13-7-2)18(24)14-8-10-15(11-9-14)21-17(23)16(20)19(3,4)5/h6-11,16H,1-2,12-13,20H2,3-5H3,(H,21,23)/t16-/m1/s1.
What are the key properties of 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide?
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 329.44 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 119739183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).