(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide

C15H23N3O3 — CID 37115733

IUPAC(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N(C)CCCOc1ccccc1
InChIInChI=1S/C15H23N3O3/c1-12(14(19)17-15(20)16-2)18(3)10-7-11-21-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyXSWABDJEIFZWLQ-LBPRGKRZSA-N
MW293.37 g/mol
LogP1.23
Rot. Bonds7

About (2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide

(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide (PubChem CID 37115733) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
PubChem CID37115733
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N(C)CCCOc1ccccc1
InChIInChI=1S/C15H23N3O3/c1-12(14(19)17-15(20)16-2)18(3)10-7-11-21-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,16,17,19,20)/t12-/m0/s1
InChIKeyXSWABDJEIFZWLQ-LBPRGKRZSA-N
XLogP1.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
N-(cyclohexylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46483737
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 17399068
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]-2-phenylacetamide
CID 51168270
(2S)-N-(methylcarbamoyl)-2-[methyl(4-phenylbutyl)amino]propanamide
CID 94184029
N-(ethylcarbamoyl)-2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 42960410
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 7841458
3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 60987240
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
N-[2-(difluoromethoxy)phenyl]-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 46444363
(2R)-N-(tert-butylcarbamoyl)-2-[methyl-[3-(3-methylsulfonylphenoxy)propyl]amino]propanamide
CID 95344181
(2R)-2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 26005700

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide?
The IUPAC name of (2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide (CID 37115733) is (2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide?
The canonical SMILES for (2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide is CNC(=O)NC(=O)[C@H](C)N(C)CCCOc1ccccc1.
What is the InChIKey of (2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide?
The InChIKey is XSWABDJEIFZWLQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12(14(19)17-15(20)16-2)18(3)10-7-11-21-13-8-5-4-6-9-13/h4-6,8-9,12H,7,10-11H2,1-3H3,(H2,16,17,19,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide?
(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide is sourced from PubChem (CID 37115733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).