2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide

C14H16N4O4 — CID 94056544

IUPAC2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
SMILESC[C@H](NC(=O)NC(C(N)=O)C(N)=O)c1cc2ccccc2o1
InChIInChI=1S/C14H16N4O4/c1-7(10-6-8-4-2-3-5-9(8)22-10)17-14(21)18-11(12(15)19)13(16)20/h2-7,11H,1H3,(H2,15,19)(H2,16,20)(H2,17,18,21)/t7-/m0/s1
InChIKeySBHNELGIWRRBOL-ZETCQYMHSA-N
MW304.31 g/mol
LogP0.13
Rot. Bonds5

About 2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide

2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide (PubChem CID 94056544) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide.

Molecular Properties

Compound Name2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
PubChem CID94056544
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
SMILESC[C@H](NC(=O)NC(C(N)=O)C(N)=O)c1cc2ccccc2o1
InChIInChI=1S/C14H16N4O4/c1-7(10-6-8-4-2-3-5-9(8)22-10)17-14(21)18-11(12(15)19)13(16)20/h2-7,11H,1H3,(H2,15,19)(H2,16,20)(H2,17,18,21)/t7-/m0/s1
InChIKeySBHNELGIWRRBOL-ZETCQYMHSA-N
XLogP0.13
TPSA140.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
CID 41437717
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437716
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437708
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-methoxyphenyl)ethyl]urea
CID 41435507
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide
CID 79809165
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103936
3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
1-[1-(1-benzofuran-2-yl)ethyl]-3-[(2-methylfuran-3-carbonyl)amino]urea
CID 43058742

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide?
The IUPAC name of 2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide (CID 94056544) is 2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide.
What is the SMILES notation for 2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide?
The canonical SMILES for 2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide is C[C@H](NC(=O)NC(C(N)=O)C(N)=O)c1cc2ccccc2o1.
What is the InChIKey of 2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide?
The InChIKey is SBHNELGIWRRBOL-ZETCQYMHSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-7(10-6-8-4-2-3-5-9(8)22-10)17-14(21)18-11(12(15)19)13(16)20/h2-7,11H,1H3,(H2,15,19)(H2,16,20)(H2,17,18,21)/t7-/m0/s1.
What are the key properties of 2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide?
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide has a molecular weight of 304.31 g/mol, XLogP of 0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide is sourced from PubChem (CID 94056544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).