2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide

C14H30N2O2 — CID 61247605

IUPAC2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NC(CO)CC(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)6-7-15-14(18)12(5)16-13(9-17)8-11(3)4/h10-13,16-17H,6-9H2,1-5H3,(H,15,18)
InChIKeyMYRTXSMZKNFHSU-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.53
Rot. Bonds9

About 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide

2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide (PubChem CID 61247605) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide
PubChem CID61247605
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)NC(CO)CC(C)C
InChIInChI=1S/C14H30N2O2/c1-10(2)6-7-15-14(18)12(5)16-13(9-17)8-11(3)4/h10-13,16-17H,6-9H2,1-5H3,(H,15,18)
InChIKeyMYRTXSMZKNFHSU-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372144
N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
CID 61246884
2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
CID 61247308
2-[1-(dimethylamino)propan-2-ylamino]-N-(3-methylbutyl)propanamide
CID 82937505
2-(1-cyclopropylbutan-2-ylamino)-N-(3-methylbutyl)propanamide
CID 63996720
2-(2,6-dimethylheptan-4-ylamino)propanoic acid
CID 61499456
N-(3-methylbutyl)-2-(octan-2-ylamino)propanamide
CID 61476708
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 106190666
N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide
CID 114210564
1,3-bis(3-methylbutyl)urea
CID 22563958
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
2-hydrazinyl-4-methyl-N-(3-methylbutyl)pentanamide
CID 166800182

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide (CID 61247605) is 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)NC(CO)CC(C)C.
What is the InChIKey of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide?
The InChIKey is MYRTXSMZKNFHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-10(2)6-7-15-14(18)12(5)16-13(9-17)8-11(3)4/h10-13,16-17H,6-9H2,1-5H3,(H,15,18).
What are the key properties of 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide?
2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide has a molecular weight of 258.41 g/mol, XLogP of 1.53, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 61247605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).