N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide

C13H19N3O3 — CID 155724825

IUPACN-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide
SMILESCNCC(=O)NC(C)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C13H19N3O3/c1-9(15-12(18)7-14-2)13(19)16-11-5-3-4-10(6-11)8-17/h3-6,9,14,17H,7-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyRMLPFBCLHICLAZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.16
Rot. Bonds6

About N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide

N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide (PubChem CID 155724825) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide
PubChem CID155724825
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide
SMILESCNCC(=O)NC(C)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C13H19N3O3/c1-9(15-12(18)7-14-2)13(19)16-11-5-3-4-10(6-11)8-17/h3-6,9,14,17H,7-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyRMLPFBCLHICLAZ-UHFFFAOYSA-N
XLogP-0.16
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethoxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide;propane
CID 155724821
N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880174
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301
N-[3-(hydroxymethyl)phenyl]-2-thiophen-3-ylpropanamide
CID 111437304
2-(carbamoylamino)-N-[3-(hydroxymethyl)phenyl]-4-methylpentanamide
CID 60629921
(2S)-2-amino-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]-3-methylbutanamide
CID 82962538
2-[3-[2-(methylamino)propanoylamino]phenyl]acetic acid
CID 65350474
(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 9299409
N-[3-(hydroxymethyl)phenyl]-2-[(2-phenylacetyl)amino]pentanamide
CID 111118110
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide?
The IUPAC name of N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide (CID 155724825) is N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide?
The canonical SMILES for N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide is CNCC(=O)NC(C)C(=O)Nc1cccc(CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide?
The InChIKey is RMLPFBCLHICLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(15-12(18)7-14-2)13(19)16-11-5-3-4-10(6-11)8-17/h3-6,9,14,17H,7-8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide?
N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide has a molecular weight of 265.31 g/mol, XLogP of -0.16, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide is sourced from PubChem (CID 155724825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).