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

C19H22N2O — CID 70245099

IUPACN-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
SMILESCCn1c2ccccc2c2cc(CNC(=O)C(C)C)ccc21
InChIInChI=1S/C19H22N2O/c1-4-21-17-8-6-5-7-15(17)16-11-14(9-10-18(16)21)12-20-19(22)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,22)
InChIKeyKOVXDMMFNLNWDQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.09
Rot. Bonds4

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

N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide (PubChem CID 70245099) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
PubChem CID70245099
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
SMILESCCn1c2ccccc2c2cc(CNC(=O)C(C)C)ccc21
InChIInChI=1S/C19H22N2O/c1-4-21-17-8-6-5-7-15(17)16-11-14(9-10-18(16)21)12-20-19(22)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,22)
InChIKeyKOVXDMMFNLNWDQ-UHFFFAOYSA-N
XLogP4.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9-ethylcarbazol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 11110676
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564
2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 66527507
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 99124071
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]butan-1-ol
CID 7425045
1-(9-ethylcarbazol-3-yl)propan-2-ol
CID 117386647
(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate
CID 143174353
(1S)-N-[(9-ethylcarbazol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 32664036
2-[(9-ethylcarbazol-3-yl)methylamino]-2-methylpropan-1-ol
CID 4722572
N-[(9-ethylcarbazol-3-yl)methyl]-1-naphthalen-1-ylethanamine
CID 21087531
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870

Frequently Asked Questions

What is the IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide (CID 70245099) is N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide is CCn1c2ccccc2c2cc(CNC(=O)C(C)C)ccc21.
What is the InChIKey of N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide?
The InChIKey is KOVXDMMFNLNWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-4-21-17-8-6-5-7-15(17)16-11-14(9-10-18(16)21)12-20-19(22)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide?
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 4.09, 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]-2-methylpropanamide is sourced from PubChem (CID 70245099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).