N-benzyl-2-(heptan-4-ylamino)acetamide

C16H26N2O — CID 54881646

IUPACN-benzyl-2-(heptan-4-ylamino)acetamide
SMILESCCCC(CCC)NCC(=O)NCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-8-15(9-4-2)17-13-16(19)18-12-14-10-6-5-7-11-14/h5-7,10-11,15,17H,3-4,8-9,12-13H2,1-2H3,(H,18,19)
InChIKeyGOUMSVXWBYTEKW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.86
Rot. Bonds9

About N-benzyl-2-(heptan-4-ylamino)acetamide

N-benzyl-2-(heptan-4-ylamino)acetamide (PubChem CID 54881646) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-benzyl-2-(heptan-4-ylamino)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(heptan-4-ylamino)acetamide
PubChem CID54881646
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-benzyl-2-(heptan-4-ylamino)acetamide
SMILESCCCC(CCC)NCC(=O)NCc1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-8-15(9-4-2)17-13-16(19)18-12-14-10-6-5-7-11-14/h5-7,10-11,15,17H,3-4,8-9,12-13H2,1-2H3,(H,18,19)
InChIKeyGOUMSVXWBYTEKW-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-[[2-(benzylamino)-2-oxoethyl]amino]butanoate
CID 64669138
N-benzyl-4-(methylamino)heptanamide
CID 142110243
3-[[2-(benzylamino)-2-oxoethyl]amino]butanoic acid
CID 54881576
2-(aminomethyl)-N-[2-(benzylamino)-2-oxoethyl]pentanamide
CID 65227019
2-[[2-(benzylamino)-2-oxoethyl]amino]propanamide
CID 43545529
N-benzyl-2-[(4-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 104696422
2-[[2-(benzylamino)-2-oxoethyl]amino]-N-ethyl-N-methylpropanamide
CID 103108505
N-benzyl-2-hydroxypentanamide
CID 141058656
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
N'-benzyl-N-propylpropanediamide
CID 108940601
N-benzyl-2-hydroxypentanamide;ethane
CID 168939873
1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide
CID 3942749

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(heptan-4-ylamino)acetamide?
The IUPAC name of N-benzyl-2-(heptan-4-ylamino)acetamide (CID 54881646) is N-benzyl-2-(heptan-4-ylamino)acetamide.
What is the SMILES notation for N-benzyl-2-(heptan-4-ylamino)acetamide?
The canonical SMILES for N-benzyl-2-(heptan-4-ylamino)acetamide is CCCC(CCC)NCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(heptan-4-ylamino)acetamide?
The InChIKey is GOUMSVXWBYTEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-8-15(9-4-2)17-13-16(19)18-12-14-10-6-5-7-11-14/h5-7,10-11,15,17H,3-4,8-9,12-13H2,1-2H3,(H,18,19).
What are the key properties of N-benzyl-2-(heptan-4-ylamino)acetamide?
N-benzyl-2-(heptan-4-ylamino)acetamide has a molecular weight of 262.40 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(heptan-4-ylamino)acetamide is sourced from PubChem (CID 54881646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).