N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide

C32H31N3O3 — CID 51362577

IUPACN'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCC(=O)Nc3ccc(OCCc4ccccc4)cc3)ccc21
InChIInChI=1S/C32H31N3O3/c1-2-35-29-11-7-6-10-27(29)28-22-25(14-17-30(28)35)34-32(37)19-18-31(36)33-24-12-15-26(16-13-24)38-21-20-23-8-4-3-5-9-23/h3-17,22H,2,18-21H2,1H3,(H,33,36)(H,34,37)
InChIKeyQRJLYPRQHWWUMX-UHFFFAOYSA-N
MW505.62 g/mol
LogP6.79
Rot. Bonds10

About N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide

N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide (PubChem CID 51362577) has the molecular formula C32H31N3O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide.

Molecular Properties

Compound NameN'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
PubChem CID51362577
Molecular FormulaC32H31N3O3
Molecular Weight505.62 g/mol
Exact Mass505.24
IUPAC NameN'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CCC(=O)Nc3ccc(OCCc4ccccc4)cc3)ccc21
InChIInChI=1S/C32H31N3O3/c1-2-35-29-11-7-6-10-27(29)28-22-25(14-17-30(28)35)34-32(37)19-18-31(36)33-24-12-15-26(16-13-24)38-21-20-23-8-4-3-5-9-23/h3-17,22H,2,18-21H2,1H3,(H,33,36)(H,34,37)
InChIKeyQRJLYPRQHWWUMX-UHFFFAOYSA-N
XLogP6.79
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
N-(9-ethylcarbazol-3-yl)-3-[4-(piperidin-1-ylmethyl)phenoxy]propanamide
CID 10139137
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139
3-(4-chlorophenyl)-N-(9-ethylcarbazol-3-yl)propanamide
CID 100589996
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-(9-ethylcarbazol-3-yl)-4-propoxybenzamide
CID 17163838
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
N-(9-ethylcarbazol-3-yl)-3-quinolin-7-yloxypropanamide
CID 10201571
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361

Frequently Asked Questions

What is the IUPAC name of N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide?
The IUPAC name of N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide (CID 51362577) is N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide.
What is the SMILES notation for N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide?
The canonical SMILES for N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide is CCn1c2ccccc2c2cc(NC(=O)CCC(=O)Nc3ccc(OCCc4ccccc4)cc3)ccc21.
What is the InChIKey of N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide?
The InChIKey is QRJLYPRQHWWUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O3/c1-2-35-29-11-7-6-10-27(29)28-22-25(14-17-30(28)35)34-32(37)19-18-31(36)33-24-12-15-26(16-13-24)38-21-20-23-8-4-3-5-9-23/h3-17,22H,2,18-21H2,1H3,(H,33,36)(H,34,37).
What are the key properties of N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide?
N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide has a molecular weight of 505.62 g/mol, XLogP of 6.79, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(9-ethylcarbazol-3-yl)-N-[4-(2-phenylethoxy)phenyl]butanediamide is sourced from PubChem (CID 51362577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).