N-tert-butyl-2-(heptan-3-ylamino)propanamide

C14H30N2O — CID 115714332

IUPACN-tert-butyl-2-(heptan-3-ylamino)propanamide
SMILESCCCCC(CC)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-7-9-10-12(8-2)15-11(3)13(17)16-14(4,5)6/h11-12,15H,7-10H2,1-6H3,(H,16,17)
InChIKeyFJEFVIJRYVUQIT-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.85
Rot. Bonds7

About N-tert-butyl-2-(heptan-3-ylamino)propanamide

N-tert-butyl-2-(heptan-3-ylamino)propanamide (PubChem CID 115714332) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-tert-butyl-2-(heptan-3-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(heptan-3-ylamino)propanamide
PubChem CID115714332
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-tert-butyl-2-(heptan-3-ylamino)propanamide
SMILESCCCCC(CC)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H30N2O/c1-7-9-10-12(8-2)15-11(3)13(17)16-14(4,5)6/h11-12,15H,7-10H2,1-6H3,(H,16,17)
InChIKeyFJEFVIJRYVUQIT-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-(heptan-3-ylamino)propanoate
CID 63944927
N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide
CID 103520500
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
N-tert-butyl-2-[(1-hydroxy-4-methylpentan-2-yl)amino]propanamide
CID 61246884
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 103997677
(2S)-2-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]hexanoic acid
CID 107146485
butyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]acetate
CID 113406977
N-carbamoyl-2-(octan-4-ylamino)propanamide
CID 113249809
N-tert-butyl-2-(4-methylpentan-2-ylamino)propanamide
CID 43372165
N-cyclopropyl-2-(octan-4-ylamino)propanamide
CID 103728152
2-(octan-4-ylamino)propanamide
CID 103776431
N'-tert-butyl-2-butyl-3-propan-2-ylbutanediamide
CID 22972676

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(heptan-3-ylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(heptan-3-ylamino)propanamide (CID 115714332) is N-tert-butyl-2-(heptan-3-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(heptan-3-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(heptan-3-ylamino)propanamide is CCCCC(CC)NC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(heptan-3-ylamino)propanamide?
The InChIKey is FJEFVIJRYVUQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-7-9-10-12(8-2)15-11(3)13(17)16-14(4,5)6/h11-12,15H,7-10H2,1-6H3,(H,16,17).
What are the key properties of N-tert-butyl-2-(heptan-3-ylamino)propanamide?
N-tert-butyl-2-(heptan-3-ylamino)propanamide has a molecular weight of 242.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(heptan-3-ylamino)propanamide is sourced from PubChem (CID 115714332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).