4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide

C30H36N4O3 — CID 58843179

IUPAC4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
SMILESO=C(CCC(Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2)cc1)NCCN1CCCC1
InChIInChI=1S/C30H36N4O3/c35-29(31-19-22-34-20-7-8-21-34)18-15-26(23-24-9-3-1-4-10-24)33-30(36)32-25-13-16-28(17-14-25)37-27-11-5-2-6-12-27/h1-6,9-14,16-17,26H,7-8,15,18-23H2,(H,31,35)(H2,32,33,36)
InChIKeyNCJXHPLCQQSPHT-UHFFFAOYSA-N
MW500.64 g/mol
LogP5.20
Rot. Bonds12

About 4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide

4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide (PubChem CID 58843179) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide.

Molecular Properties

Compound Name4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
PubChem CID58843179
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC Name4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
SMILESO=C(CCC(Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2)cc1)NCCN1CCCC1
InChIInChI=1S/C30H36N4O3/c35-29(31-19-22-34-20-7-8-21-34)18-15-26(23-24-9-3-1-4-10-24)33-30(36)32-25-13-16-28(17-14-25)37-27-11-5-2-6-12-27/h1-6,9-14,16-17,26H,7-8,15,18-23H2,(H,31,35)(H2,32,33,36)
InChIKeyNCJXHPLCQQSPHT-UHFFFAOYSA-N
XLogP5.20
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide
CID 72753695
(E)-4-[[4-(4-fluorophenoxy)phenyl]carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pent-2-enamide
CID 143047113
(3S)-N-[2-(dimethylamino)ethyl]-3-[(4-phenoxyphenyl)carbamoylamino]-4-phenylbutanamide
CID 58843177
(2S)-2-[(4-iodophenyl)carbamoylamino]-3-phenyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 58843181
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3-pyrrolidin-1-ylpropanamide
CID 107861397
methyl 5-phenyl-4-[(4-phenylphenyl)carbamoylamino]pentanoate
CID 69428404
N-(2-morpholin-4-ylethyl)-2-(4-phenoxyanilino)acetamide
CID 108995006
4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122027923
(4R)-4-[N-(N'-cyanocarbamimidoyl)-4-(3,4-dichlorophenoxy)anilino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 90792742
2-(azepan-1-yl)-N-(4-phenoxyphenyl)acetamide chloride
CID 53350713
3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109032975

Frequently Asked Questions

What is the IUPAC name of 4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
The IUPAC name of 4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide (CID 58843179) is 4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide.
What is the SMILES notation for 4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
The canonical SMILES for 4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide is O=C(CCC(Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccccc2)cc1)NCCN1CCCC1.
What is the InChIKey of 4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
The InChIKey is NCJXHPLCQQSPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c35-29(31-19-22-34-20-7-8-21-34)18-15-26(23-24-9-3-1-4-10-24)33-30(36)32-25-13-16-28(17-14-25)37-27-11-5-2-6-12-27/h1-6,9-14,16-17,26H,7-8,15,18-23H2,(H,31,35)(H2,32,33,36).
What are the key properties of 4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide?
4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide has a molecular weight of 500.64 g/mol, XLogP of 5.20, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-phenoxyphenyl)carbamoylamino]-5-phenyl-N-(2-pyrrolidin-1-ylethyl)pentanamide is sourced from PubChem (CID 58843179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).