N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide

C18H18N2O2 — CID 75403476

IUPACN-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide
SMILESO=C(NCC1CC1)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H18N2O2/c21-17(19-10-11-4-5-11)18(22)20-15-9-8-13-7-6-12-2-1-3-14(15)16(12)13/h1-3,8-9,11H,4-7,10H2,(H,19,21)(H,20,22)
InChIKeyHCLYQAZAWBTCRK-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.40
Rot. Bonds3

About N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide

N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide (PubChem CID 75403476) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide
PubChem CID75403476
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide
SMILESO=C(NCC1CC1)C(=O)Nc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C18H18N2O2/c21-17(19-10-11-4-5-11)18(22)20-15-9-8-13-7-6-12-2-1-3-14(15)16(12)13/h1-3,8-9,11H,4-7,10H2,(H,19,21)(H,20,22)
InChIKeyHCLYQAZAWBTCRK-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111121529
cis-(1S,2R)-2-cyclopropyl-N-(1,2-dihydroacenaphthylen-5-yl)cyclopropane-1-carboxamide
CID 97079662
(2S,5R)-5-(aminomethyl)-N-(1,2-dihydroacenaphthylen-5-yl)oxolane-2-carboxamide
CID 120785060
N-(1,2-dihydroacenaphthylen-5-yl)-2-methyl-2-phenoxypropanamide
CID 30309317
1,2-dihydroacenaphthylen-5-ylthiourea
CID 851719
2-(1,2-dihydroacenaphthylen-5-ylamino)acetate
CID 7312561
7-amino-N-(1,2-dihydroacenaphthylen-5-yl)heptanamide
CID 119697802
4-cyclopentyl-N-(1,2-dihydroacenaphthylen-5-yl)piperazine-1-carboxamide
CID 112825337
N-(1,2-dihydroacenaphthylen-5-yl)thiophene-2-carboxamide
CID 881818
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 52533675
2-benzylsulfanyl-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 800367
N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide?
The IUPAC name of N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide (CID 75403476) is N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide is O=C(NCC1CC1)C(=O)Nc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide?
The InChIKey is HCLYQAZAWBTCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17(19-10-11-4-5-11)18(22)20-15-9-8-13-7-6-12-2-1-3-14(15)16(12)13/h1-3,8-9,11H,4-7,10H2,(H,19,21)(H,20,22).
What are the key properties of N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide?
N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide has a molecular weight of 294.35 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-(1,2-dihydroacenaphthylen-5-yl)oxamide is sourced from PubChem (CID 75403476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).