N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide

C14H21N3O2 — CID 54924609

IUPACN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CC(C)N)c1
InChIInChI=1S/C14H21N3O2/c1-10(15)7-14(19)16-13-6-4-5-12(8-13)9-17(3)11(2)18/h4-6,8,10H,7,9,15H2,1-3H3,(H,16,19)
InChIKeyNMMAVPDIENMVBP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.34
Rot. Bonds5

About N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide

N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide (PubChem CID 54924609) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide.

Molecular Properties

Compound NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
PubChem CID54924609
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide
SMILESCC(=O)N(C)Cc1cccc(NC(=O)CC(C)N)c1
InChIInChI=1S/C14H21N3O2/c1-10(15)7-14(19)16-13-6-4-5-12(8-13)9-17(3)11(2)18/h4-6,8,10H,7,9,15H2,1-3H3,(H,16,19)
InChIKeyNMMAVPDIENMVBP-UHFFFAOYSA-N
XLogP1.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-[(dimethylamino)methyl]phenyl]butanamide;dihydrochloride
CID 119853186
3-amino-N-[3-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]butanamide
CID 119732275
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-bromopropanamide
CID 113385188
2-[3-(3-aminobutanoylamino)phenyl]acetic acid
CID 65349953
5-[3-[[acetyl(methyl)amino]methyl]anilino]-5-oxopentanoic acid
CID 60941960
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-bromo-3-methylbutanamide
CID 43699889
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-5-chloropentanamide
CID 43699890
N-[[3-(butan-2-ylcarbamoylamino)phenyl]methyl]-N-methylacetamide
CID 47202792
N-methyl-N-[[3-(3-methylbutan-2-ylamino)phenyl]methyl]acetamide
CID 43724408
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-2-aminohexanamide
CID 60854220
3-amino-N-(3-hydroxyphenyl)butanamide
CID 61165718
N-[3-[(3-aminobutanoylamino)methyl]phenyl]-3-methylbutanamide;hydrochloride
CID 119745470

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide?
The IUPAC name of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide (CID 54924609) is N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide.
What is the SMILES notation for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide?
The canonical SMILES for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide is CC(=O)N(C)Cc1cccc(NC(=O)CC(C)N)c1.
What is the InChIKey of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide?
The InChIKey is NMMAVPDIENMVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(15)7-14(19)16-13-6-4-5-12(8-13)9-17(3)11(2)18/h4-6,8,10H,7,9,15H2,1-3H3,(H,16,19).
What are the key properties of N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide?
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide has a molecular weight of 263.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-aminobutanamide is sourced from PubChem (CID 54924609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).