2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide

C27H32N4O4 — CID 46228043

IUPAC2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide
SMILESNCCCCC(=O)Nc1ccc(OCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H32N4O4/c28-16-5-4-9-26(32)31-25-15-14-23(34-18-6-17-29)19-24(25)27(33)30-20-10-12-22(13-11-20)35-21-7-2-1-3-8-21/h1-3,7-8,10-15,19H,4-6,9,16-18,28-29H2,(H,30,33)(H,31,32)
InChIKeyKSUYVZQDQDRLAK-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.53
Rot. Bonds13

About 2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide

2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide (PubChem CID 46228043) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide
PubChem CID46228043
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide
SMILESNCCCCC(=O)Nc1ccc(OCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H32N4O4/c28-16-5-4-9-26(32)31-25-15-14-23(34-18-6-17-29)19-24(25)27(33)30-20-10-12-22(13-11-20)35-21-7-2-1-3-8-21/h1-3,7-8,10-15,19H,4-6,9,16-18,28-29H2,(H,30,33)(H,31,32)
InChIKeyKSUYVZQDQDRLAK-UHFFFAOYSA-N
XLogP4.53
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(4-phenoxyphenyl)pentanamide
CID 28971507
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
3-(3-aminopropoxy)-N-(4-hydroxyphenyl)naphthalene-2-carboxamide
CID 90697122
[7-oxo-7-(4-phenoxyanilino)heptyl]boronic acid
CID 42637224
2-(6-aminohexanoylamino)-5-hydroxybenzoic acid
CID 61405789
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
2-(6-aminohexanoylamino)-5-fluorobenzoic acid
CID 61157607
4,5-diamino-N-(4-phenoxyphenyl)pentanamide
CID 74349728
5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 143593017

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide (CID 46228043) is 2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide is NCCCCC(=O)Nc1ccc(OCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide?
The InChIKey is KSUYVZQDQDRLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c28-16-5-4-9-26(32)31-25-15-14-23(34-18-6-17-29)19-24(25)27(33)30-20-10-12-22(13-11-20)35-21-7-2-1-3-8-21/h1-3,7-8,10-15,19H,4-6,9,16-18,28-29H2,(H,30,33)(H,31,32).
What are the key properties of 2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide?
2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide has a molecular weight of 476.58 g/mol, XLogP of 4.53, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopentanoylamino)-5-(3-aminopropoxy)-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 46228043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).