N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide

C13H26N4O2 — CID 106614633

IUPACN-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESCNC(=O)NC(=O)CCN(CC1CCCN1)C(C)C
InChIInChI=1S/C13H26N4O2/c1-10(2)17(9-11-5-4-7-15-11)8-6-12(18)16-13(19)14-3/h10-11,15H,4-9H2,1-3H3,(H2,14,16,18,19)
InChIKeyIDXWQNAUJRUJLF-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.29
Rot. Bonds6

About N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide

N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide (PubChem CID 106614633) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
PubChem CID106614633
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESCNC(=O)NC(=O)CCN(CC1CCCN1)C(C)C
InChIInChI=1S/C13H26N4O2/c1-10(2)17(9-11-5-4-7-15-11)8-6-12(18)16-13(19)14-3/h10-11,15H,4-9H2,1-3H3,(H2,14,16,18,19)
InChIKeyIDXWQNAUJRUJLF-UHFFFAOYSA-N
XLogP0.29
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-N-(methylcarbamoyl)propanamide
CID 104979134
N-(ethylcarbamoyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614699
3-[piperidin-2-ylmethyl(propan-2-yl)amino]propanamide
CID 106632108
N-[2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethyl]acetamide
CID 106614697
N-methyl-3-[methyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106613819
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-methylpropanamide
CID 106618297
methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62025905
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
2-[propan-2-yl-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819407
N-(2-methylpropylcarbamoyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615591
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide (CID 106614633) is N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide is CNC(=O)NC(=O)CCN(CC1CCCN1)C(C)C.
What is the InChIKey of N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide?
The InChIKey is IDXWQNAUJRUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-10(2)17(9-11-5-4-7-15-11)8-6-12(18)16-13(19)14-3/h10-11,15H,4-9H2,1-3H3,(H2,14,16,18,19).
What are the key properties of N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide?
N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide has a molecular weight of 270.38 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 106614633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).