N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride

C14H22ClN3O2 — CID 119277407

IUPACN-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C(C)N)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9(2)13(18)17-12-6-4-11(5-7-12)8-16-14(19)10(3)15;/h4-7,9-10H,8,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyYFSSTLCLWZVXFP-UHFFFAOYSA-N
MW299.80 g/mol
LogP1.67
Rot. Bonds5

About N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride

N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride (PubChem CID 119277407) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
PubChem CID119277407
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC NameN-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)C(C)N)cc1.Cl
InChIInChI=1S/C14H21N3O2.ClH/c1-9(2)13(18)17-12-6-4-11(5-7-12)8-16-14(19)10(3)15;/h4-7,9-10H,8,15H2,1-3H3,(H,16,19)(H,17,18);1H
InChIKeyYFSSTLCLWZVXFP-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
2-amino-3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119277422
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
2-methyl-3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropanoic acid
CID 114897148
2-amino-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide;hydrochloride
CID 119293088
3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119701237
3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62668740
N-[4-[(2-acetamidopropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 42936966
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
CID 119297040
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride?
The IUPAC name of N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride (CID 119277407) is N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride is CC(C)C(=O)Nc1ccc(CNC(=O)C(C)N)cc1.Cl.
What is the InChIKey of N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride?
The InChIKey is YFSSTLCLWZVXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/c1-9(2)13(18)17-12-6-4-11(5-7-12)8-16-14(19)10(3)15;/h4-7,9-10H,8,15H2,1-3H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride?
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119277407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).