N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide

C19H29N3O3 — CID 146106412

IUPACN-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide
SMILESCOC(CNC(=O)N1CCCCCNC(=O)CC1)Cc1ccccc1
InChIInChI=1S/C19H29N3O3/c1-25-17(14-16-8-4-2-5-9-16)15-21-19(24)22-12-7-3-6-11-20-18(23)10-13-22/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H,20,23)(H,21,24)
InChIKeyDGDADHAPSNAKJT-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.95
Rot. Bonds5

About N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide

N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide (PubChem CID 146106412) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide
PubChem CID146106412
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide
SMILESCOC(CNC(=O)N1CCCCCNC(=O)CC1)Cc1ccccc1
InChIInChI=1S/C19H29N3O3/c1-25-17(14-16-8-4-2-5-9-16)15-21-19(24)22-12-7-3-6-11-20-18(23)10-13-22/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H,20,23)(H,21,24)
InChIKeyDGDADHAPSNAKJT-UHFFFAOYSA-N
XLogP1.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(4-oxo-1,5-diazacycloundecane-1-carbonyl)piperidine-1-carboxamide
CID 110201725
N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95306843
4-oxo-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-1,5-diazacycloundecane-1-carboxamide
CID 167971468
5-(4-phenylbutanoyl)-1,5-diazacycloundecan-2-one
CID 110201364
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125
1-[(2S)-2-amino-3-phenylpropanoyl]-1,4-diazepan-5-one
CID 78919913
5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide
CID 124565477
2-[[(5-oxo-1,4-diazepane-1-carbonyl)amino]methyl]butanoic acid
CID 65226302
N-(2-benzylbutyl)piperazine-1-carboxamide
CID 131936268
N-benzylazonane-1-carboxamide
CID 130689649
1-(2-methoxyacetyl)-4-oxo-N-(2-phenylethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199999
4-(3-phenyl-2-sulfanylpropanoyl)-1,4-diazepan-2-one
CID 107031205

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide?
The IUPAC name of N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide (CID 146106412) is N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide.
What is the SMILES notation for N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide?
The canonical SMILES for N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide is COC(CNC(=O)N1CCCCCNC(=O)CC1)Cc1ccccc1.
What is the InChIKey of N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide?
The InChIKey is DGDADHAPSNAKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-25-17(14-16-8-4-2-5-9-16)15-21-19(24)22-12-7-3-6-11-20-18(23)10-13-22/h2,4-5,8-9,17H,3,6-7,10-15H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide?
N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide is sourced from PubChem (CID 146106412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).