N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide

C14H29N3O3 — CID 176814500

IUPACN-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide
SMILESCC(C)CCCNC(=O)CONC(=O)CCNC(C)C
InChIInChI=1S/C14H29N3O3/c1-11(2)6-5-8-16-14(19)10-20-17-13(18)7-9-15-12(3)4/h11-12,15H,5-10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyDFLMWLMJMDYYEJ-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.97
Rot. Bonds11

About N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide

N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide (PubChem CID 176814500) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide
PubChem CID176814500
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC NameN-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide
SMILESCC(C)CCCNC(=O)CONC(=O)CCNC(C)C
InChIInChI=1S/C14H29N3O3/c1-11(2)6-5-8-16-14(19)10-20-17-13(18)7-9-15-12(3)4/h11-12,15H,5-10H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyDFLMWLMJMDYYEJ-UHFFFAOYSA-N
XLogP0.97
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxypentyl)-3-(propan-2-ylamino)propanamide
CID 106134458
N-(2-methoxyethoxy)-3-(propan-2-ylamino)propanamide
CID 81433255
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide
CID 170416222
3-(tert-butylamino)-N-(4-methylpentyl)propanamide
CID 61044511
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60853066
4-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61157472
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
N-(4-methylpentyl)propanamide
CID 54140551
(2R)-5-(diaminomethylideneamino)-N-(5-methylhexyl)-2-[3-(propan-2-ylamino)propanoylamino]pentanamide
CID 171639863
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
2-ethoxy-N-(5-methylhexyl)acetamide
CID 21019006

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide (CID 176814500) is N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide is CC(C)CCCNC(=O)CONC(=O)CCNC(C)C.
What is the InChIKey of N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide?
The InChIKey is DFLMWLMJMDYYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3/c1-11(2)6-5-8-16-14(19)10-20-17-13(18)7-9-15-12(3)4/h11-12,15H,5-10H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide?
N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide has a molecular weight of 287.40 g/mol, XLogP of 0.97, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentylamino)-2-oxoethoxy]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 176814500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).