2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide

C12H19N3O — CID 103248005

IUPAC2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide
SMILESCc1cccc(CCNCC(N)C(N)=O)c1
InChIInChI=1S/C12H19N3O/c1-9-3-2-4-10(7-9)5-6-15-8-11(13)12(14)16/h2-4,7,11,15H,5-6,8,13H2,1H3,(H2,14,16)
InChIKeyMPQGGQMSSCREHO-UHFFFAOYSA-N
MW221.30 g/mol
LogP-0.06
Rot. Bonds6

About 2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide

2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide (PubChem CID 103248005) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide
PubChem CID103248005
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide
SMILESCc1cccc(CCNCC(N)C(N)=O)c1
InChIInChI=1S/C12H19N3O/c1-9-3-2-4-10(7-9)5-6-15-8-11(13)12(14)16/h2-4,7,11,15H,5-6,8,13H2,1H3,(H2,14,16)
InChIKeyMPQGGQMSSCREHO-UHFFFAOYSA-N
XLogP-0.06
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
2-methyl-N'-[2-(3-methylphenyl)ethyl]propane-1,3-diamine
CID 115198795
1-[2-(3-methylphenyl)ethylamino]propan-2-one
CID 115235071
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
CID 62314630
2-amino-3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 103249006
2-amino-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 103247068
4-[2-(3-methylphenyl)ethylamino]butan-2-one
CID 115235975
2-[2-(3-methylphenyl)ethylamino]-N-propan-2-ylacetamide
CID 62314829
tert-butyl 2-[2-(3-methylphenyl)ethylamino]acetate
CID 62313916
(2R)-2-amino-3-methyl-N-[2-(3-methylphenyl)ethyl]butanamide
CID 79013185
2-chloro-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314292
methyl 2-amino-4-(3-methylphenyl)butanoate
CID 116851529

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide?
The IUPAC name of 2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide (CID 103248005) is 2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide.
What is the SMILES notation for 2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide?
The canonical SMILES for 2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide is Cc1cccc(CCNCC(N)C(N)=O)c1.
What is the InChIKey of 2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide?
The InChIKey is MPQGGQMSSCREHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-3-2-4-10(7-9)5-6-15-8-11(13)12(14)16/h2-4,7,11,15H,5-6,8,13H2,1H3,(H2,14,16).
What are the key properties of 2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide?
2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide has a molecular weight of 221.30 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(3-methylphenyl)ethylamino]propanamide is sourced from PubChem (CID 103248005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).