4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide

C14H25N3O2 — CID 66431838

IUPAC4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide
SMILESCN(Cc1ccoc1)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-14(2,3)16-13(18)7-12(8-15)17(4)9-11-5-6-19-10-11/h5-6,10,12H,7-9,15H2,1-4H3,(H,16,18)
InChIKeySOCKAYJQZFGWPH-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.34
Rot. Bonds6

About 4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide

4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide (PubChem CID 66431838) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide
PubChem CID66431838
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide
SMILESCN(Cc1ccoc1)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C14H25N3O2/c1-14(2,3)16-13(18)7-12(8-15)17(4)9-11-5-6-19-10-11/h5-6,10,12H,7-9,15H2,1-4H3,(H,16,18)
InChIKeySOCKAYJQZFGWPH-UHFFFAOYSA-N
XLogP1.34
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 104710880
4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide
CID 66430410
4-amino-N-tert-butyl-3-[methyl(propyl)amino]butanamide
CID 66431224
2-[furan-3-ylmethyl(methyl)amino]butanehydrazide
CID 63584965
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487
3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
CID 61421973
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760
4-amino-N-tert-butyl-3-[methyl(oxan-4-yl)amino]butanamide
CID 66430004
1-(furan-3-ylmethyl)-3-hydroxy-1-methylurea
CID 54330793
ethyl 2-[[furan-3-ylmethyl(methyl)carbamoyl]amino]acetate
CID 47337990
4-amino-N-tert-butyl-3-[cycloheptyl(methyl)amino]butanamide
CID 66430006

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide (CID 66431838) is 4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide is CN(Cc1ccoc1)C(CN)CC(=O)NC(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide?
The InChIKey is SOCKAYJQZFGWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,3)16-13(18)7-12(8-15)17(4)9-11-5-6-19-10-11/h5-6,10,12H,7-9,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide?
4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide has a molecular weight of 267.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide is sourced from PubChem (CID 66431838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).