1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide

C21H24N2O3 — CID 6611830

IUPAC1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide
SMILESO=C(NCCCO)C1CC=CCC1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H24N2O3/c24-14-6-13-22-20(25)17-10-3-4-11-18(17)21(26)23-19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-9,12,17-18,24H,6,10-11,13-14H2,(H,22,25)(H,23,26)
InChIKeyPNQIJUCURRTMMW-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.86
Rot. Bonds6

About 1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide

1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide (PubChem CID 6611830) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide
PubChem CID6611830
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide
SMILESO=C(NCCCO)C1CC=CCC1C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C21H24N2O3/c24-14-6-13-22-20(25)17-10-3-4-11-18(17)21(26)23-19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-9,12,17-18,24H,6,10-11,13-14H2,(H,22,25)(H,23,26)
InChIKeyPNQIJUCURRTMMW-UHFFFAOYSA-N
XLogP2.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Naphthalen-1-ylamino)butan-1-ol
CID 646092
(S)-3-{(S)-4-Methyl-2-[2-(naphthalen-1-ylamino)-acetylamino]-pentanoylamino}-4-oxo-butyric acid
CID 9823027
(S)-3-{(S)-4-Methyl-2-[(naphthalen-1-ylaminooxalyl)-amino]-pentanoylamino}-4-oxo-butyric acid
CID 9867192
(2S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-3-methyl-N-[(2S)-1-(1-naphthalenylamino)-1-oxopropan-2-yl]butanamide
CID 44176347
8-(Formyl-hydroxy-amino)-octanoic acid naphthalen-2-ylamide
CID 44359547
8-(Formyl-hydroxy-amino)-octanoic acid naphthalen-1-ylamide
CID 44359555
3-cyclohexyl-N-[2-(naphthalen-1-ylamino)ethyl]propanamide
CID 44522011
N-anthracen-9-yl-2-(3-hydroxypropylamino)acetamide;hydrochloride
CID 90644034
[(1R)-3-methyl-1-[[(2S)-2-(naphthalen-1-ylamino)-3-phenylpropanoyl]amino]butyl]boronic acid
CID 145961835
N-[2-(1-naphthylamino)ethyl]acetamide
CID 2900806
N-[4-(1-naphthylamino)-4-oxobutanoyl]-beta-alanine
CID 66831318
6-{[4-(1-Naphthylamino)-4-oxobutanoyl]amino}hexanoic acid
CID 66831335

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide (CID 6611830) is 1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide is O=C(NCCCO)C1CC=CCC1C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide?
The InChIKey is PNQIJUCURRTMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-14-6-13-22-20(25)17-10-3-4-11-18(17)21(26)23-19-12-5-8-15-7-1-2-9-16(15)19/h1-5,7-9,12,17-18,24H,6,10-11,13-14H2,(H,22,25)(H,23,26).
What are the key properties of 1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide?
1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-hydroxypropyl)-2-N-naphthalen-1-ylcyclohex-4-ene-1,2-dicarboxamide is sourced from PubChem (CID 6611830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).