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

C15H31N3O2 — CID 106614794

IUPACN-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESCOCCCNC(=O)C(C)N(CC1CCCN1)C(C)C
InChIInChI=1S/C15H31N3O2/c1-12(2)18(11-14-7-5-8-16-14)13(3)15(19)17-9-6-10-20-4/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyIHIWQKXNWUKGJY-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.99
Rot. Bonds9

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

N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide (PubChem CID 106614794) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
PubChem CID106614794
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
SMILESCOCCCNC(=O)C(C)N(CC1CCCN1)C(C)C
InChIInChI=1S/C15H31N3O2/c1-12(2)18(11-14-7-5-8-16-14)13(3)15(19)17-9-6-10-20-4/h12-14,16H,5-11H2,1-4H3,(H,17,19)
InChIKeyIHIWQKXNWUKGJY-UHFFFAOYSA-N
XLogP0.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.99
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

2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(3-methoxypropyl)propanamide
CID 106631734
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide
CID 106616707
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide
CID 106617530
2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106614462
2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 106631912
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pentylpropanamide
CID 106615376
(2S)-N-cyclopropyl-2-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
CID 129398896
4-methoxy-N-(1-pyrrolidin-2-ylpropan-2-yl)butan-1-amine
CID 79541172
2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106632109
2-methoxy-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]propanamide
CID 104955350
3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607554

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide (CID 106614794) is N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide is COCCCNC(=O)C(C)N(CC1CCCN1)C(C)C.
What is the InChIKey of N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide?
The InChIKey is IHIWQKXNWUKGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(2)18(11-14-7-5-8-16-14)13(3)15(19)17-9-6-10-20-4/h12-14,16H,5-11H2,1-4H3,(H,17,19).
What are the key properties of N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide?
N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide has a molecular weight of 285.43 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 106614794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).