N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide

C13H17ClN4O3 — CID 60847975

IUPACN-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)CNC(=O)CN)c1
InChIInChI=1S/C13H17ClN4O3/c1-2-11(19)17-8-3-4-9(14)10(5-8)18-13(21)7-16-12(20)6-15/h3-5H,2,6-7,15H2,1H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyGTKULBGIISTABP-UHFFFAOYSA-N
MW312.76 g/mol
LogP0.70
Rot. Bonds6

About N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide

N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide (PubChem CID 60847975) has the molecular formula C13H17ClN4O3 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
PubChem CID60847975
Molecular FormulaC13H17ClN4O3
Molecular Weight312.76 g/mol
Exact Mass312.10
IUPAC NameN-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide
SMILESCCC(=O)Nc1ccc(Cl)c(NC(=O)CNC(=O)CN)c1
InChIInChI=1S/C13H17ClN4O3/c1-2-11(19)17-8-3-4-9(14)10(5-8)18-13(21)7-16-12(20)6-15/h3-5H,2,6-7,15H2,1H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyGTKULBGIISTABP-UHFFFAOYSA-N
XLogP0.70
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-chloro-5-(propanoylamino)phenyl]propanamide
CID 43701444
N-[4-chloro-3-[[2-(prop-2-ynylamino)acetyl]amino]phenyl]propanamide
CID 79287636
2-amino-N-[2-(2-chloro-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60849966
2-amino-N-[2-[3-chloro-4-(dimethylamino)anilino]-2-oxoethyl]acetamide
CID 54862720
N-[3-(3-aminopropanoylamino)-4-chlorophenyl]butanamide
CID 82034391
2-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 54928059
N-[4-chloro-3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 2995282
N-[3-[(2-aminoacetyl)amino]-4-chlorophenyl]-2-phenylacetamide
CID 39184468
N-[2-chloro-5-(propanoylamino)phenyl]-3-(propan-2-ylamino)propanamide
CID 60852166
N-[4-chloro-3-[[2-(4-ethylphenoxy)acetyl]amino]phenyl]propanamide
CID 1313538
N-[3-(4-aminobutanoylamino)-4-chlorophenyl]pentanamide
CID 39193099
2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
CID 60848808

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide?
The IUPAC name of N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide (CID 60847975) is N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide.
What is the SMILES notation for N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide?
The canonical SMILES for N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide is CCC(=O)Nc1ccc(Cl)c(NC(=O)CNC(=O)CN)c1.
What is the InChIKey of N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide?
The InChIKey is GTKULBGIISTABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O3/c1-2-11(19)17-8-3-4-9(14)10(5-8)18-13(21)7-16-12(20)6-15/h3-5H,2,6-7,15H2,1H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide?
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide has a molecular weight of 312.76 g/mol, XLogP of 0.70, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-chlorophenyl]propanamide is sourced from PubChem (CID 60847975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).