N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide

C18H31N3O — CID 59046880

IUPACN-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCCCC(CCC)Nc1ccccc1NC(=O)CNC(C)C
InChIInChI=1S/C18H31N3O/c1-5-9-15(10-6-2)20-16-11-7-8-12-17(16)21-18(22)13-19-14(3)4/h7-8,11-12,14-15,19-20H,5-6,9-10,13H2,1-4H3,(H,21,22)
InChIKeyMBCMRXQOKOBRNW-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.00
Rot. Bonds10

About N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide

N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide (PubChem CID 59046880) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide
PubChem CID59046880
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC NameN-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCCCC(CCC)Nc1ccccc1NC(=O)CNC(C)C
InChIInChI=1S/C18H31N3O/c1-5-9-15(10-6-2)20-16-11-7-8-12-17(16)21-18(22)13-19-14(3)4/h7-8,11-12,14-15,19-20H,5-6,9-10,13H2,1-4H3,(H,21,22)
InChIKeyMBCMRXQOKOBRNW-UHFFFAOYSA-N
XLogP4.00
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-butoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 54817835
tert-butyl N-[2-(heptan-4-ylamino)phenyl]carbamate
CID 107240279
methyl 2-[[2-(propan-2-ylamino)acetyl]amino]benzoate
CID 60640943
2-[[(2R)-pentan-2-yl]amino]-N-(2-phenylphenyl)acetamide
CID 2112768
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
N-(2-methyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 79044146
N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide
CID 103930833
2-methyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 60842887
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60841655
N-(2-methyl-3-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 54863561
N-(2-bromophenyl)-2-(hexan-2-ylamino)acetamide
CID 55050254

Frequently Asked Questions

What is the IUPAC name of N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide (CID 59046880) is N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide is CCCC(CCC)Nc1ccccc1NC(=O)CNC(C)C.
What is the InChIKey of N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is MBCMRXQOKOBRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-5-9-15(10-6-2)20-16-11-7-8-12-17(16)21-18(22)13-19-14(3)4/h7-8,11-12,14-15,19-20H,5-6,9-10,13H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide?
N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 305.47 g/mol, XLogP of 4.00, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(heptan-4-ylamino)phenyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 59046880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).