N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide

C13H26N4O3 — CID 106617964

IUPACN-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)N(CCO)CC1CCCN1
InChIInChI=1S/C13H26N4O3/c1-3-14-13(20)16-12(19)10(2)17(7-8-18)9-11-5-4-6-15-11/h10-11,15,18H,3-9H2,1-2H3,(H2,14,16,19,20)
InChIKeyHWSAHOIFMFLXKL-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.73
Rot. Bonds7

About N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide

N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide (PubChem CID 106617964) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
PubChem CID106617964
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC NameN-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESCCNC(=O)NC(=O)C(C)N(CCO)CC1CCCN1
InChIInChI=1S/C13H26N4O3/c1-3-14-13(20)16-12(19)10(2)17(7-8-18)9-11-5-4-6-15-11/h10-11,15,18H,3-9H2,1-2H3,(H2,14,16,19,20)
InChIKeyHWSAHOIFMFLXKL-UHFFFAOYSA-N
XLogP-0.73
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
CID 106618297
N-cyclopentyl-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617913
N-(ethylcarbamoyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614699
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-phenylpropanamide
CID 106618033
N-carbamoyl-2-[piperidin-2-ylmethyl(propyl)amino]propanamide
CID 106635848
2-[1-cyclopropylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606811
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
CID 106615376
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide
CID 106616707
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentan-2-ylpropanamide
CID 106615213
2-[nonan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106607007
N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617035
2-[pent-1-yn-3-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618117

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide (CID 106617964) is N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide is CCNC(=O)NC(=O)C(C)N(CCO)CC1CCCN1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
The InChIKey is HWSAHOIFMFLXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-3-14-13(20)16-12(19)10(2)17(7-8-18)9-11-5-4-6-15-11/h10-11,15,18H,3-9H2,1-2H3,(H2,14,16,19,20).
What are the key properties of N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide?
N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide has a molecular weight of 286.38 g/mol, XLogP of -0.73, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 106617964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).