methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate

C15H21N3O4 — CID 56792823

IUPACmethyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)Nc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C15H21N3O4/c1-18(2)13(19)10-11-4-6-12(7-5-11)17-15(21)16-9-8-14(20)22-3/h4-7H,8-10H2,1-3H3,(H2,16,17,21)
InChIKeyPEMSLYKOWFPINB-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.00
Rot. Bonds6

About methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate

methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate (PubChem CID 56792823) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate
PubChem CID56792823
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Namemethyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)Nc1ccc(CC(=O)N(C)C)cc1
InChIInChI=1S/C15H21N3O4/c1-18(2)13(19)10-11-4-6-12(7-5-11)17-15(21)16-9-8-14(20)22-3/h4-7H,8-10H2,1-3H3,(H2,16,17,21)
InChIKeyPEMSLYKOWFPINB-UHFFFAOYSA-N
XLogP1.00
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate with MolForge

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Related Compounds

methyl 3-[(4-bromophenyl)carbamoylamino]propanoate
CID 47361141
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]butanoic acid
CID 122077972
2-[4-[(2-chloroacetyl)amino]phenyl]-N,N-dimethylacetamide
CID 43699528
methyl 3-[[2-(4-acetamidophenyl)acetyl]-methylamino]propanoate
CID 61030942
methyl 3-[(3,4-dichlorophenyl)carbamoylamino]propanoate
CID 3810392
3-[4-[(3-methoxy-3-oxopropyl)carbamoylamino]phenyl]prop-2-enoic acid
CID 61299940
methyl 4-[[2-(4-acetamidophenyl)acetyl]-methylamino]butanoate
CID 39491135
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-hydroxybutanamide
CID 79200620
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119719005
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55870064
2-[4-[[2-(dimethylamino)-2-thiophen-3-ylethyl]carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 51116703
methyl 3-[[4-[[2-[(dimethylamino)methyl]phenyl]methylcarbamoylamino]benzoyl]amino]propanoate
CID 55698348

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate?
The IUPAC name of methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate (CID 56792823) is methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate?
The canonical SMILES for methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate is COC(=O)CCNC(=O)Nc1ccc(CC(=O)N(C)C)cc1.
What is the InChIKey of methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate?
The InChIKey is PEMSLYKOWFPINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-18(2)13(19)10-11-4-6-12(7-5-11)17-15(21)16-9-8-14(20)22-3/h4-7H,8-10H2,1-3H3,(H2,16,17,21).
What are the key properties of methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate?
methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate has a molecular weight of 307.35 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[2-(dimethylamino)-2-oxoethyl]phenyl]carbamoylamino]propanoate is sourced from PubChem (CID 56792823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).