3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride

C18H30ClN3O2 — CID 119571395

IUPAC3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CC(NC(C)=O)c1ccc(C)cc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-5-18(6-2,12-19)21-17(23)11-16(20-14(4)22)15-9-7-13(3)8-10-15;/h7-10,16H,5-6,11-12,19H2,1-4H3,(H,20,22)(H,21,23);1H
InChIKeySASYSEXFCISUGX-UHFFFAOYSA-N
MW355.91 g/mol
LogP2.62
Rot. Bonds8

About 3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride

3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 119571395) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride
PubChem CID119571395
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)CC(NC(C)=O)c1ccc(C)cc1.Cl
InChIInChI=1S/C18H29N3O2.ClH/c1-5-18(6-2,12-19)21-17(23)11-16(20-14(4)22)15-9-7-13(3)8-10-15;/h7-10,16H,5-6,11-12,19H2,1-4H3,(H,20,22)(H,21,23);1H
InChIKeySASYSEXFCISUGX-UHFFFAOYSA-N
XLogP2.62
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119524471
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-N-(1-aminohexan-2-yl)-3-(4-methylphenyl)propanamide
CID 119668025
(2S)-2-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]propanoic acid
CID 119238260
3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593
3-acetamido-N-(3,5-dimethylphenyl)-3-(4-methylphenyl)propanamide
CID 51195095
(3S)-3-acetamido-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)propanamide
CID 33275005
3-acetamido-N-(2-amino-1-naphthalen-2-ylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 120567798
3-acetamido-N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-chlorophenyl)propanamide;hydrochloride
CID 119574768
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
propan-2-yl 3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-3-(4-methylphenyl)propanoate
CID 46690699

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride (CID 119571395) is 3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride is CCC(CC)(CN)NC(=O)CC(NC(C)=O)c1ccc(C)cc1.Cl.
What is the InChIKey of 3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is SASYSEXFCISUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.ClH/c1-5-18(6-2,12-19)21-17(23)11-16(20-14(4)22)15-9-7-13(3)8-10-15;/h7-10,16H,5-6,11-12,19H2,1-4H3,(H,20,22)(H,21,23);1H.
What are the key properties of 3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride?
3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 355.91 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[3-(aminomethyl)pentan-3-yl]-3-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119571395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).