N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide

C16H25N3O2 — CID 60850102

IUPACN-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CCCNC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-15(20)18-13-7-9-14(10-8-13)19-16(21)6-5-11-17-12(2)3/h7-10,12,17H,4-6,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJSKWBIFMAFNTOF-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.75
Rot. Bonds8

About N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide

N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide (PubChem CID 60850102) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
PubChem CID60850102
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CCCNC(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-4-15(20)18-13-7-9-14(10-8-13)19-16(21)6-5-11-17-12(2)3/h7-10,12,17H,4-6,11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyJSKWBIFMAFNTOF-UHFFFAOYSA-N
XLogP2.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-4-(propan-2-ylamino)butanamide
CID 54928721
N-(4-methylsulfanylphenyl)-4-(propan-2-ylamino)butanamide
CID 60851275
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 54862576
[4-[4-(propan-2-ylamino)butanoylamino]phenyl]methyl acetate
CID 144997484
N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 60928332
N-(3-bromo-4-methylphenyl)-4-(propan-2-ylamino)butanamide
CID 63334817
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-(propan-2-ylamino)butanamide
CID 60849921
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide
CID 106910393
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852166

Frequently Asked Questions

What is the IUPAC name of N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide (CID 60850102) is N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide is CCC(=O)Nc1ccc(NC(=O)CCCNC(C)C)cc1.
What is the InChIKey of N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is JSKWBIFMAFNTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-15(20)18-13-7-9-14(10-8-13)19-16(21)6-5-11-17-12(2)3/h7-10,12,17H,4-6,11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide?
N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 291.40 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(propanoylamino)phenyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60850102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).