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

C12H24N4O3 — CID 106617540

IUPACN-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESCOCCN(CCC(=O)NC(N)=O)CC1CCCN1
InChIInChI=1S/C12H24N4O3/c1-19-8-7-16(9-10-3-2-5-14-10)6-4-11(17)15-12(13)18/h10,14H,2-9H2,1H3,(H3,13,15,17,18)
InChIKeyKMZOJNHITDOSQE-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.73
Rot. Bonds8

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

N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide (PubChem CID 106617540) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
PubChem CID106617540
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC NameN-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESCOCCN(CCC(=O)NC(N)=O)CC1CCCN1
InChIInChI=1S/C12H24N4O3/c1-19-8-7-16(9-10-3-2-5-14-10)6-4-11(17)15-12(13)18/h10,14H,2-9H2,1H3,(H3,13,15,17,18)
InChIKeyKMZOJNHITDOSQE-UHFFFAOYSA-N
XLogP-0.73
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
N-carbamoyl-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615126
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide
CID 106617530
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617601
methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate
CID 106617435
2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid
CID 106617477
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
N-(2-methoxyethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106606206
5-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 114280319
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide (CID 106617540) is N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide is COCCN(CCC(=O)NC(N)=O)CC1CCCN1.
What is the InChIKey of N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The InChIKey is KMZOJNHITDOSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-19-8-7-16(9-10-3-2-5-14-10)6-4-11(17)15-12(13)18/h10,14H,2-9H2,1H3,(H3,13,15,17,18).
What are the key properties of N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide has a molecular weight of 272.35 g/mol, XLogP of -0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 106617540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).