N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide

C18H18N2O — CID 70174564

IUPACN-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C18H18N2O/c1-3-18(21)19-12-13-9-10-17-15(11-13)14-7-5-6-8-16(14)20(17)4-2/h3,5-11H,1,4,12H2,2H3,(H,19,21)
InChIKeyVKFACYOYEJFUHE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.62
Rot. Bonds4

About N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide

N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide (PubChem CID 70174564) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
PubChem CID70174564
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C18H18N2O/c1-3-18(21)19-12-13-9-10-17-15(11-13)14-7-5-6-8-16(14)20(17)4-2/h3,5-11H,1,4,12H2,2H3,(H,19,21)
InChIKeyVKFACYOYEJFUHE-UHFFFAOYSA-N
XLogP3.62
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 66527507
(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate
CID 143174353
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 99124071
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
2-[(9-ethylcarbazol-3-yl)methylamino]-2-methylpropan-1-ol
CID 4722572
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-2-ylmethanamine
CID 164792573
N-[(9-ethylcarbazol-3-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332553
2-[(9-ethylcarbazol-3-yl)methyl]-1,1-diphenylhydrazine
CID 59931550
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide (CID 70174564) is N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide is C=CC(=O)NCc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide?
The InChIKey is VKFACYOYEJFUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-3-18(21)19-12-13-9-10-17-15(11-13)14-7-5-6-8-16(14)20(17)4-2/h3,5-11H,1,4,12H2,2H3,(H,19,21).
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide?
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide has a molecular weight of 278.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 70174564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).