N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide

C16H25N3O3 — CID 51097264

IUPACN-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide
SMILESCOCCN(CCCc1ccccc1)CCC(=O)NC(N)=O
InChIInChI=1S/C16H25N3O3/c1-22-13-12-19(11-9-15(20)18-16(17)21)10-5-8-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H3,17,18,20,21)
InChIKeyLHENCUMCKWJKQY-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.15
Rot. Bonds10

About N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide

N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide (PubChem CID 51097264) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide
PubChem CID51097264
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide
SMILESCOCCN(CCCc1ccccc1)CCC(=O)NC(N)=O
InChIInChI=1S/C16H25N3O3/c1-22-13-12-19(11-9-15(20)18-16(17)21)10-5-8-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H3,17,18,20,21)
InChIKeyLHENCUMCKWJKQY-UHFFFAOYSA-N
XLogP1.15
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[benzyl-[3-(carbamoylamino)-3-oxopropyl]amino]-2-methylpropanoate
CID 51107101
2-[2-methoxyethyl(3-phenylpropyl)amino]-N-(2-methoxyphenyl)acetamide
CID 86860860
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
2-amino-N-(2-methoxyethyl)-N-(3-phenylpropyl)acetamide
CID 119307588
(2R)-6-[2-methoxyethyl(3-phenylpropyl)amino]hexane-1,2-diol
CID 145142002
3-[2-aminoethyl(2-phenylethyl)amino]-N-(methylcarbamoyl)propanamide
CID 120872156
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
3-[2-methoxyethyl(3-methoxypropyl)amino]propanehydrazide
CID 63582905
methyl 3-[ethyl(4-phenylbutyl)amino]propanoate
CID 114334479
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-phenylbutanamide
CID 78876109
3-[3-aminopropyl(2-methoxyethyl)amino]-N-methylpropanamide
CID 63287350

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide?
The IUPAC name of N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide (CID 51097264) is N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide?
The canonical SMILES for N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide is COCCN(CCCc1ccccc1)CCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide?
The InChIKey is LHENCUMCKWJKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-22-13-12-19(11-9-15(20)18-16(17)21)10-5-8-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H3,17,18,20,21).
What are the key properties of N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide?
N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide has a molecular weight of 307.39 g/mol, XLogP of 1.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[2-methoxyethyl(3-phenylpropyl)amino]propanamide is sourced from PubChem (CID 51097264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).