2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide

C13H20N4O2 — CID 18164478

IUPAC2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
SMILESCC(NC(N)=O)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N4O2/c1-9(16-13(14)19)12(18)15-8-10-4-6-11(7-5-10)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)(H3,14,16,19)
InChIKeyHVCHYLIXQMZGGD-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.43
Rot. Bonds5

About 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide

2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide (PubChem CID 18164478) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
PubChem CID18164478
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
SMILESCC(NC(N)=O)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C13H20N4O2/c1-9(16-13(14)19)12(18)15-8-10-4-6-11(7-5-10)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)(H3,14,16,19)
InChIKeyHVCHYLIXQMZGGD-UHFFFAOYSA-N
XLogP0.43
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 61250496
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 18164481
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-(dimethylamino)benzamide
CID 60571690
5-amino-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpentanamide
CID 104684743
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-3-methylbutanamide
CID 65229472
N-[[4-(dimethylamino)phenyl]methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51221756
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-ethoxypropanamide
CID 94797015
2-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]butanamide
CID 65229471
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
4-amino-5-[[4-(dimethylamino)phenyl]methylamino]-5-oxopentanoic acid
CID 64890694
N-[[4-(dimethylamino)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879983
2-[2-[[2-(carbamoylamino)propanoylamino]methyl]phenyl]acetic acid
CID 81317551

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide?
The IUPAC name of 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide (CID 18164478) is 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide is CC(NC(N)=O)C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide?
The InChIKey is HVCHYLIXQMZGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(16-13(14)19)12(18)15-8-10-4-6-11(7-5-10)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)(H3,14,16,19).
What are the key properties of 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide?
2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide has a molecular weight of 264.33 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[[4-(dimethylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 18164478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).