N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide

C27H30N2O3 — CID 55580575

IUPACN-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)CCNC(=O)c2ccc3ccccc3c2)C(C)C2CC2)cc1
InChIInChI=1S/C27H30N2O3/c1-19(21-9-10-21)29(18-20-7-13-25(32-2)14-8-20)26(30)15-16-28-27(31)24-12-11-22-5-3-4-6-23(22)17-24/h3-8,11-14,17,19,21H,9-10,15-16,18H2,1-2H3,(H,28,31)
InChIKeyUCNSLIDXTMJQBH-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.80
Rot. Bonds9

About N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55580575) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55580575
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCOc1ccc(CN(C(=O)CCNC(=O)c2ccc3ccccc3c2)C(C)C2CC2)cc1
InChIInChI=1S/C27H30N2O3/c1-19(21-9-10-21)29(18-20-7-13-25(32-2)14-8-20)26(30)15-16-28-27(31)24-12-11-22-5-3-4-6-23(22)17-24/h3-8,11-14,17,19,21H,9-10,15-16,18H2,1-2H3,(H,28,31)
InChIKeyUCNSLIDXTMJQBH-UHFFFAOYSA-N
XLogP4.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 42945917
3-[[4-[[[(1S)-1-cyclohexylethyl]-(naphthalen-2-ylcarbamoyl)amino]methyl]benzoyl]amino]propanoic acid
CID 59032290
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-phenylmethoxyacetamide
CID 55550866
N-[3-[benzyl(1-pyridin-2-ylethyl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 86897663
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 55552023
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
3-(3-bromo-4-methoxyphenyl)-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 55575014
N-(1-cyclopropylethyl)-2-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 42945913
N-[3-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-3-oxopropyl]naphthalene-2-carboxamide
CID 78852133
N-(1-cyclopropylethyl)-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 55551923
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55552365

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55580575) is N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide is COc1ccc(CN(C(=O)CCNC(=O)c2ccc3ccccc3c2)C(C)C2CC2)cc1.
What is the InChIKey of N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is UCNSLIDXTMJQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-19(21-9-10-21)29(18-20-7-13-25(32-2)14-8-20)26(30)15-16-28-27(31)24-12-11-22-5-3-4-6-23(22)17-24/h3-8,11-14,17,19,21H,9-10,15-16,18H2,1-2H3,(H,28,31).
What are the key properties of N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-cyclopropylethyl-[(4-methoxyphenyl)methyl]amino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55580575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).