2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid

C14H21N3O3 — CID 43135762

IUPAC2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-16(12-7-4-3-5-8-12)10-6-9-15-14(20)17(2)11-13(18)19/h3-5,7-8H,6,9-11H2,1-2H3,(H,15,20)(H,18,19)
InChIKeySJHJOSKQSKZIDT-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.24
Rot. Bonds7

About 2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid

2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid (PubChem CID 43135762) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
PubChem CID43135762
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCCN(C)c1ccccc1
InChIInChI=1S/C14H21N3O3/c1-16(12-7-4-3-5-8-12)10-6-9-15-14(20)17(2)11-13(18)19/h3-5,7-8H,6,9-11H2,1-2H3,(H,15,20)(H,18,19)
InChIKeySJHJOSKQSKZIDT-UHFFFAOYSA-N
XLogP1.24
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
N-[3-(N-methylanilino)propyl]pentanamide
CID 78799629
5-[3-(N-methylanilino)propylamino]pentanoic acid
CID 103232553
2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
4-(methylamino)-N-[3-(N-methylanilino)propyl]butanamide;dihydrochloride
CID 119831619
1-benzyl-3-[3-(N-methylanilino)propyl]urea
CID 3497237
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
2-methyl-2-(methylamino)-N-[3-(N-methylanilino)propyl]propanamide
CID 62834119
1-amino-N-[3-(N-methylanilino)propyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831631
3-[3-(dimethylamino)propyl]-1,1-diphenylurea
CID 3525114
3-amino-3-methyl-N-[3-(N-methylanilino)propyl]butanamide
CID 64685522
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid (CID 43135762) is 2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid is CN(CC(=O)O)C(=O)NCCCN(C)c1ccccc1.
What is the InChIKey of 2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid?
The InChIKey is SJHJOSKQSKZIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16(12-7-4-3-5-8-12)10-6-9-15-14(20)17(2)11-13(18)19/h3-5,7-8H,6,9-11H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid?
2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(N-methylanilino)propylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 43135762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).