N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide

C15H18N2O2 — CID 166405776

IUPACN-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)N[C@H](C)C2CC2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-14(18)17-13-8-6-12(7-9-13)15(19)16-10(2)11-4-5-11/h3,6-11H,1,4-5H2,2H3,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeyCEZVDCFKOMRLND-SNVBAGLBSA-N
MW258.32 g/mol
LogP2.34
Rot. Bonds5

About N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide

N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide (PubChem CID 166405776) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide
PubChem CID166405776
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide
SMILESC=CC(=O)Nc1ccc(C(=O)N[C@H](C)C2CC2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-14(18)17-13-8-6-12(7-9-13)15(19)16-10(2)11-4-5-11/h3,6-11H,1,4-5H2,2H3,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeyCEZVDCFKOMRLND-SNVBAGLBSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-benzamido-N-(1-cyclopropylethyl)benzamide
CID 134006926
4-(carbamoylamino)-N-(1-cyclopropylethyl)benzamide
CID 47138042
N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
CID 175156198
N-[(1S)-1-(oxan-4-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 166408483
4-chloro-N-[4-(prop-2-enoylamino)phenyl]benzamide
CID 166410938
N-(4-methoxyphenyl)-4-(prop-2-enoylamino)benzamide
CID 166403507
N-(1-cyclopropylethyl)-1H-pyrrole-3-carboxamide
CID 131176905
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
4-(benzenesulfonamido)-N-(1-cyclopropylethyl)benzamide
CID 84975243
N-(4-propan-2-yloxyphenyl)prop-2-enamide
CID 43616366
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide (CID 166405776) is N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide is C=CC(=O)Nc1ccc(C(=O)N[C@H](C)C2CC2)cc1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide?
The InChIKey is CEZVDCFKOMRLND-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-14(18)17-13-8-6-12(7-9-13)15(19)16-10(2)11-4-5-11/h3,6-11H,1,4-5H2,2H3,(H,16,19)(H,17,18)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide?
N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide has a molecular weight of 258.32 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-4-(prop-2-enoylamino)benzamide is sourced from PubChem (CID 166405776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).