N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide

C19H23N3O — CID 119672985

IUPACN-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCNC)ccc21
InChIInChI=1S/C19H23N3O/c1-3-22-17-8-5-4-7-15(17)16-13-14(10-11-18(16)22)21-19(23)9-6-12-20-2/h4-5,7-8,10-11,13,20H,3,6,9,12H2,1-2H3,(H,21,23)
InChIKeyCTFVPQMRKWPLPD-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.75
Rot. Bonds6

About N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide

N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide (PubChem CID 119672985) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
PubChem CID119672985
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCCNC)ccc21
InChIInChI=1S/C19H23N3O/c1-3-22-17-8-5-4-7-15(17)16-13-14(10-11-18(16)22)21-19(23)9-6-12-20-2/h4-5,7-8,10-11,13,20H,3,6,9,12H2,1-2H3,(H,21,23)
InChIKeyCTFVPQMRKWPLPD-UHFFFAOYSA-N
XLogP3.75
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
N-[4-[(9-ethylcarbazol-3-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 26702247
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
N-(9-ethylcarbazol-3-yl)-4-pyrrolidin-1-ylsulfonylbutanamide
CID 112843902
N-(9-ethylcarbazol-3-yl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330387
3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 100589996
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 22458850
N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
CID 51362577

Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide (CID 119672985) is N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide is CCn1c2ccccc2c2cc(NC(=O)CCCNC)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide?
The InChIKey is CTFVPQMRKWPLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-3-22-17-8-5-4-7-15(17)16-13-14(10-11-18(16)22)21-19(23)9-6-12-20-2/h4-5,7-8,10-11,13,20H,3,6,9,12H2,1-2H3,(H,21,23).
What are the key properties of N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide?
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide has a molecular weight of 309.41 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide is sourced from PubChem (CID 119672985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).