N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide

C27H29N3O4 — CID 70158027

IUPACN-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide
SMILESCCCCC(NC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(=O)CNC(C)=O
InChIInChI=1S/C27H29N3O4/c1-3-4-9-24(25(32)17-28-18(2)31)30-26(33)20-12-14-23(15-13-20)29-27(34)22-11-10-19-7-5-6-8-21(19)16-22/h5-8,10-16,24H,3-4,9,17H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)
InChIKeyFYKUQTZJRJHAKU-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.09
Rot. Bonds10

About N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide

N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide (PubChem CID 70158027) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide
PubChem CID70158027
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC NameN-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide
SMILESCCCCC(NC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(=O)CNC(C)=O
InChIInChI=1S/C27H29N3O4/c1-3-4-9-24(25(32)17-28-18(2)31)30-26(33)20-12-14-23(15-13-20)29-27(34)22-11-10-19-7-5-6-8-21(19)16-22/h5-8,10-16,24H,3-4,9,17H2,1-2H3,(H,28,31)(H,29,34)(H,30,33)
InChIKeyFYKUQTZJRJHAKU-UHFFFAOYSA-N
XLogP4.09
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetamido-2-oxoheptan-3-yl)-4-(naphthalen-2-ylsulfonylamino)benzamide
CID 18435536
(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid
CID 120614965
2-[[4-(phenylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120537960
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-octadecylnaphthalene-2-carboxamide
CID 20549010
4-ethyl-N-naphthalen-2-ylbenzamide
CID 5108081
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-[4-(diethoxyphosphorylmethyl)phenyl]naphthalene-2-carboxamide
CID 19700500

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide (CID 70158027) is N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide is CCCCC(NC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)cc1)C(=O)CNC(C)=O.
What is the InChIKey of N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide?
The InChIKey is FYKUQTZJRJHAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-3-4-9-24(25(32)17-28-18(2)31)30-26(33)20-12-14-23(15-13-20)29-27(34)22-11-10-19-7-5-6-8-21(19)16-22/h5-8,10-16,24H,3-4,9,17H2,1-2H3,(H,28,31)(H,29,34)(H,30,33).
What are the key properties of N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide?
N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 4.09, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-acetamido-2-oxoheptan-3-yl)carbamoyl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 70158027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).