N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide

C20H25N3O2 — CID 43006853

IUPACN-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide
SMILESCCCCc1ccc(NC(=O)C(Cc2ccccc2)NC(N)=O)cc1
InChIInChI=1S/C20H25N3O2/c1-2-3-7-15-10-12-17(13-11-15)22-19(24)18(23-20(21)25)14-16-8-5-4-6-9-16/h4-6,8-13,18H,2-3,7,14H2,1H3,(H,22,24)(H3,21,23,25)
InChIKeyRSXXHKUGHOIPNL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.25
Rot. Bonds8

About N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide

N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide (PubChem CID 43006853) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide
PubChem CID43006853
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide
SMILESCCCCc1ccc(NC(=O)C(Cc2ccccc2)NC(N)=O)cc1
InChIInChI=1S/C20H25N3O2/c1-2-3-7-15-10-12-17(13-11-15)22-19(24)18(23-20(21)25)14-16-8-5-4-6-9-16/h4-6,8-13,18H,2-3,7,14H2,1H3,(H,22,24)(H3,21,23,25)
InChIKeyRSXXHKUGHOIPNL-UHFFFAOYSA-N
XLogP3.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
2-(carbamoylamino)-3-phenyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 24638122
(2R)-2-acetamido-N-(4-butylphenyl)pentanediamide
CID 95156797
2-(carbamoylamino)-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 24636305
(2S)-2-(carbamoylamino)-3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 30475898
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
(2R)-N-(4-butylphenyl)-2-methoxy-2-phenylacetamide
CID 2207661
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
2-bromo-N-(4-butylphenyl)butanamide
CID 63463837
N-(4-butylphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2290937
(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
CID 79011565

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide?
The IUPAC name of N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide (CID 43006853) is N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide?
The canonical SMILES for N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide is CCCCc1ccc(NC(=O)C(Cc2ccccc2)NC(N)=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide?
The InChIKey is RSXXHKUGHOIPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-3-7-15-10-12-17(13-11-15)22-19(24)18(23-20(21)25)14-16-8-5-4-6-9-16/h4-6,8-13,18H,2-3,7,14H2,1H3,(H,22,24)(H3,21,23,25).
What are the key properties of N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide?
N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide has a molecular weight of 339.44 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(carbamoylamino)-3-phenylpropanamide is sourced from PubChem (CID 43006853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).