trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C15H26N2O3 — CID 94166299

IUPACtrans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCCOCC1CC1
InChIInChI=1S/C15H26N2O3/c1-11-9-13(11)15(19)17-7-5-14(18)16-6-2-8-20-10-12-3-4-12/h11-13H,2-10H2,1H3,(H,16,18)(H,17,19)/t11-,13-/m0/s1
InChIKeyUHZMQMIPMZCRRQ-AAEUAGOBSA-N
MW282.38 g/mol
LogP1.08
Rot. Bonds10

About trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 94166299) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID94166299
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametrans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCCOCC1CC1
InChIInChI=1S/C15H26N2O3/c1-11-9-13(11)15(19)17-7-5-14(18)16-6-2-8-20-10-12-3-4-12/h11-13H,2-10H2,1H3,(H,16,18)(H,17,19)/t11-,13-/m0/s1
InChIKeyUHZMQMIPMZCRRQ-AAEUAGOBSA-N
XLogP1.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
CID 60852522
3-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111392238
(2S,4S)-N-[3-(cyclopropylmethoxy)propyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618698
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane-1-carboxamide
CID 78858799
5-amino-N-[3-(cyclopropylmethoxy)propyl]hexanamide
CID 82848964
cis-(1S,2R)-N-[3-[2-(3,5-dimethylphenoxy)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94620545
2-chloro-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]benzamide
CID 18168914
2-(cyclopropylamino)-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 60712208
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
N-[3-(cyclopropylmethoxy)propyl]-3-piperidin-4-yloxypropanamide
CID 63876469
N-[3-(tert-butylamino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 71942014
2-amino-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]acetamide
CID 60847429

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 94166299) is trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCCOCC1CC1.
What is the InChIKey of trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is UHZMQMIPMZCRRQ-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-9-13(11)15(19)17-7-5-14(18)16-6-2-8-20-10-12-3-4-12/h11-13H,2-10H2,1H3,(H,16,18)(H,17,19)/t11-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 282.38 g/mol, XLogP of 1.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[3-[3-(cyclopropylmethoxy)propylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 94166299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).