N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide

C21H24N2O3 — CID 9172934

IUPACN-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1
InChIInChI=1S/C21H24N2O3/c1-4-14-26-17-12-10-16(11-13-17)20(24)23-19-9-7-6-8-18(19)21(25)22-15(3)5-2/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChIKeyKYKCCDULJYJZKJ-HNNXBMFYSA-N
MW352.43 g/mol
LogP4.03
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide

N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide (PubChem CID 9172934) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
PubChem CID9172934
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1
InChIInChI=1S/C21H24N2O3/c1-4-14-26-17-12-10-16(11-13-17)20(24)23-19-9-7-6-8-18(19)21(25)22-15(3)5-2/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,25)(H,23,24)/t15-/m0/s1
InChIKeyKYKCCDULJYJZKJ-HNNXBMFYSA-N
XLogP4.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.03
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

N-(2-methoxyethyl)-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 40742879
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
N-[(2R)-butan-2-yl]-2-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 26706316
N-butan-2-yl-2-[[4-(2-methylpropoxy)benzoyl]carbamothioylamino]benzamide
CID 17151378
2-[(4-pentoxybenzoyl)amino]-N-propan-2-ylbenzamide
CID 4935218
N-[2-(butanoylamino)phenyl]-4-prop-2-enoxybenzamide
CID 2993732
N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479
N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059
N-butan-2-yl-2-[(3-methoxybenzoyl)amino]benzamide
CID 17417921

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide (CID 9172934) is N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide is C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)CC)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
The InChIKey is KYKCCDULJYJZKJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-4-14-26-17-12-10-16(11-13-17)20(24)23-19-9-7-6-8-18(19)21(25)22-15(3)5-2/h4,6-13,15H,1,5,14H2,2-3H3,(H,22,25)(H,23,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide?
N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide has a molecular weight of 352.43 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[(4-prop-2-enoxybenzoyl)amino]benzamide is sourced from PubChem (CID 9172934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).